Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nelivaptan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1B known ✓ | P47901 | 20/20 | 1.00 |
| ▸ | AVPR1A | P37288 | 11/20 | 1.00 |
| ▸ | OXTR | P30559 | 11/20 | 1.00 |
| ▸ | AVPR2 | P30518 | 3/20 | 1.00 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 1.00 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Nelivaptan SCHEMBL5349223 | 1.00 | AVPR1B (1.00) | AVPR1BAVPR1AOXTRAVPR2GPR65 | |
| Nelivaptan SCHEMBL14517029 | 1.00 | AVPR1B (1.00) | AVPR1BAVPR1AOXTRAVPR2GPR65 | |
| Nelivaptan SCHEMBL2798065 | 1.00 | AVPR1B (1.00) | AVPR1BAVPR1AOXTRAVPR2GPR65 | |
| Nelivaptan SCHEMBL29380118 | 1.00 | AVPR1B (1.00) | AVPR1BAVPR1AOXTRAVPR2GPR65 | |
| Nelivaptan SCHEMBL31317579 | 0.97 | AVPR1B (0.95) | AVPR1BAVPR1AOXTRAVPR2GPR65 | |
| SCHEMBL5351446 | 0.95 | AVPR1B (0.91) | AVPR1BAVPR1AOXTRAVPR2GPR65 | |
| SCHEMBL5347025 | 0.95 | AVPR1B (0.90) | AVPR1BAVPR1AOXTRAVPR2GPR65 | |
| SCHEMBL7403029 | 0.95 | AVPR1B (0.90) | AVPR1BAVPR1AOXTRAVPR2GPR65 | |
| SCHEMBL7408252 | 0.95 | AVPR1B (0.90) | AVPR1BAVPR1AOXTRAVPR2GPR65 | |
| SCHEMBL5351285 | 0.95 | AVPR1B (0.90) | AVPR1BAVPR1AOXTRAVPR2GPR65 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009140484-A1 | PROCESSES FOR PREPARING AMORPHOUS DRUG SUBSTANCE | SANOFI-AVENTIS (FR) | 2009-11-19 | — | — | WO | claimed |
| WO-2009140479-A1 | AMORPHOUS SOLID DISPERSIONS | SANOFI-AVENTIS (FR) | 2009-11-19 | — | — | WO | claimed |
| US-20210181182-A1 | METHOD FOR IDENTIFICATION OF PERTURBAGENS OF PARTICULAR BIOLOGICAL PROCESSES AND CELL SYSTEMS WITHIN LIVING CELLS | ATTAGENE INC (US) | 2021-06-17 | — | — | US | disclosed |
| WO-2009140484-A1 | PROCESSES FOR PREPARING AMORPHOUS DRUG SUBSTANCE | SANOFI-AVENTIS (FR) | 2009-11-19 | — | — | WO | disclosed |
| WO-2009140479-A1 | AMORPHOUS SOLID DISPERSIONS | SANOFI-AVENTIS (FR) | 2009-11-19 | — | — | WO | disclosed |
| WO-2009140484-A1 | PROCESSES FOR PREPARING AMORPHOUS DRUG SUBSTANCE | SANOFI-AVENTIS (FR) | 2009-11-19 | — | — | WO | disclosed |
| WO-2009140479-A1 | AMORPHOUS SOLID DISPERSIONS | SANOFI-AVENTIS (FR) | 2009-11-19 | — | — | WO | disclosed |
| EP-1525198-A2 | ACYLOXYPYRROLIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | Sanofi-Aventis (FR) | 2005-04-27 | — | — | EP | disclosed |
| WO-2004009585-A2 | ACYLOXYPYRROLIDINE DERIVATIVES AND USE THEREOF AS LIGANDS OF V1B OR BOTH V1B AND V1A RECEPTORS | SANOFI-AVENTIS (FR) | 2004-01-29 | — | — | WO | disclosed |
| EP-1255751-A2 | 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND THEIR USE AS LIGANDS FOR V1B OR V1B AND V1A ARGININE-VASOPRESSIN RECEPTORS | SANOFI-SYNTHELABO (FR) | 2002-11-13 | — | — | EP | disclosed |
| WO-2001055130-A2 | NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND THEIR USE AS LIGANDS FOR V1B AND V1A ARGININE-VASOPRESSIN RECEPTORS | SANOFI-SYNTHELABO (FR) | 2001-08-02 | — | — | WO | disclosed |